#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgl s ASP 2 N 0.00 4.10 0.14 0.00 -4.77 -1.26 -4.98 116.67 109.90 2kgl s ASP 2 Ca 0.00 -0.53 0.08 0.00 -3.30 0.00 0.00 52.55 48.80 2kgl s ASP 2 Cb 0.00 -0.65 -0.04 0.00 -1.09 0.00 0.00 42.92 41.13 2kgl s ASP 2 CO 0.00 0.16 -0.12 0.42 0.70 0.00 0.00 175.17 176.33 2kgl s THR 3 N -1.33 3.15 0.51 2.11 -4.23 -1.26 -5.12 115.64 109.47 2kgl s THR 3 Ca 0.21 -1.50 -0.21 0.00 -1.18 0.00 0.00 61.69 59.02 2kgl s THR 3 Cb -0.10 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 2kgl s THR 3 CO 0.12 0.02 1.14 -2.16 -0.54 0.00 0.00 174.62 173.20 2kgl s PRO 4 N -2.45 3.50 -0.24 3.99 0.04 -1.26 -4.98 135.00 133.60 2kgl s PRO 4 Ca 0.22 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 2kgl s PRO 4 Cb -0.10 -2.14 0.13 0.00 0.04 0.00 0.00 34.50 32.43 2kgl s PRO 4 CO 0.13 -0.74 0.35 0.20 0.04 0.00 0.00 177.00 176.99 2kgl s GLY 5 N -1.63 -0.35 0.00 0.56 0.00 -1.26 -4.95 107.32 99.69 2kgl s GLY 5 Ca 0.70 0.70 0.00 0.00 0.00 0.00 0.00 44.72 46.11 2kgl s GLY 5 CO 0.29 2.62 0.00 -2.21 0.00 0.00 0.00 173.10 173.80 2kgl n GLU 6 N 5.35 0.00 -2.65 2.90 2.13 -1.26 -5.02 120.64 122.09 2kgl n GLU 6 Ca -0.03 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.37 2kgl n GLU 6 Cb 0.50 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.22 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kgl n ALA 7 N -0.51 5.73 -2.39 4.31 0.00 -1.26 -4.98 120.51 121.41 2kgl n ALA 7 Ca 0.00 -4.58 -0.30 0.00 0.00 0.00 0.00 53.44 48.56 2kgl n ALA 7 Cb 0.00 -2.44 -0.13 0.00 0.00 0.00 0.00 19.45 16.88 2kgl n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kgl s THR 8 N -2.67 2.33 0.96 0.00 -1.32 -1.26 -5.14 115.64 108.54 2kgl s THR 8 Ca 0.38 -1.55 -0.12 0.00 -1.21 0.00 0.00 61.69 59.18 2kgl s THR 8 Cb 0.12 -1.99 0.17 0.00 -1.51 0.00 0.00 72.50 69.29 2kgl s THR 8 CO -0.01 0.21 1.09 -2.16 -2.21 0.00 0.00 174.62 171.54 2kgl s PRO 9 N -1.73 0.73 0.96 7.08 0.04 -1.26 -5.04 135.00 135.78 2kgl s PRO 9 Ca 0.14 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 2kgl s PRO 9 Cb -0.10 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2kgl s PRO 9 CO 0.05 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.38 2kgl s PRO 10 N -4.95 0.75 -1.14 0.56 0.04 -1.26 -4.88 135.00 124.12 2kgl s PRO 10 Ca 0.65 0.64 -0.23 0.00 0.04 0.00 0.00 61.00 62.10 2kgl s PRO 10 Cb -0.18 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 2kgl s PRO 10 CO 0.57 -2.54 1.93 -0.35 0.04 0.00 0.00 177.00 176.65 2kgl n PRO 11 N -4.06 1.58 0.11 0.56 -0.04 -1.26 -4.71 135.00 127.18 2kgl n PRO 11 Ca 0.06 -2.40 -0.02 0.00 -0.04 0.00 0.00 63.50 61.11 2kgl n PRO 11 Cb 0.56 -3.64 0.22 0.00 -0.04 0.00 0.00 33.50 30.60 2kgl n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kgl h ARG 12 N 9.51 0.17 0.00 0.54 3.08 -2.01 -3.39 114.38 122.28 2kgl h ARG 12 Ca 0.24 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2kgl h ARG 12 Cb 0.91 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.89 2kgl h ARG 12 CO 1.31 0.60 -0.17 0.36 -1.07 0.00 0.00 179.97 181.00 2kgl n LYS 13 N -3.99 0.00 -0.07 0.04 2.85 -1.26 -4.93 118.16 110.80 2kgl n LYS 13 Ca -0.02 -0.57 -0.08 0.00 -1.05 0.00 0.00 58.31 56.59 2kgl n LYS 13 Cb 0.50 0.34 -0.04 0.00 -0.65 0.00 0.00 35.03 35.18 2kgl n LYS 13 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2kgl h LYS 14 N 0.00 0.00 -0.79 -1.58 3.64 -1.76 -3.39 116.57 112.69 2kgl h LYS 14 Ca -0.33 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.80 2kgl h LYS 14 Cb 1.13 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.80 2kgl h LYS 14 CO -0.17 0.26 0.32 1.17 -2.27 0.00 0.00 179.45 178.77 2kgl n LYS 15 N -4.61 3.60 -0.04 1.90 4.81 -1.26 -0.64 118.16 121.92 2kgl n LYS 15 Ca -0.11 -3.08 -0.21 0.00 -0.87 0.00 0.00 58.31 54.04 2kgl n LYS 15 Cb 0.31 -2.22 -0.13 0.00 0.02 0.00 0.00 35.03 33.01 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2kgl h ASP 16 N 2.52 0.22 -4.94 3.14 5.19 -1.84 -3.48 116.42 117.23 2kgl h ASP 16 Ca 0.31 -0.74 0.01 0.00 -0.62 0.00 0.00 57.03 55.99 2kgl h ASP 16 Cb 2.42 -0.07 -0.13 0.00 0.18 0.00 0.00 39.33 41.73 2kgl h ASP 16 CO 0.79 1.63 -1.58 -0.38 -3.12 0.00 0.00 179.24 176.58 2kgl n ILE 17 N -4.02-12.80 -1.68 0.35 -0.00 -1.26 -4.54 119.36 95.41 2kgl n ILE 17 Ca -0.30 2.77 -0.47 0.00 -0.00 0.00 0.00 62.75 64.74 2kgl n ILE 17 Cb 0.85 -6.51 -0.04 0.00 -0.00 0.00 0.00 39.64 33.93 2kgl n ILE 17 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2kgl n ARG 18 N 1.68 2.27 -1.28 0.38 3.00 -1.26 -0.09 116.66 121.35 2kgl n ARG 18 Ca -0.42 0.83 -0.10 0.00 -0.01 0.00 0.00 57.85 58.15 2kgl n ARG 18 Cb 0.65 -2.68 -0.04 0.00 0.00 0.00 0.00 32.46 30.39 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kgl n ASP 19 N 6.24 -5.25 -2.83 0.55 -0.08 -1.26 -0.09 116.55 113.84 2kgl n ASP 19 Ca 0.21 0.24 -0.16 0.00 -1.51 0.00 0.00 54.79 53.58 2kgl n ASP 19 Cb 0.31 -3.61 -0.00 0.00 2.34 0.00 0.00 41.12 40.15 2kgl n ASP 19 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2kgl n TYR 20 N -2.36 -1.62 0.00 -0.67 4.01 0.87 -4.13 117.16 113.26 2kgl n TYR 20 Ca -0.10 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2kgl n TYR 20 Cb 0.50 -2.75 0.00 0.00 -0.31 0.00 0.00 39.34 36.78 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kgl n ASN 21 N -1.99 0.00 0.33 7.72 5.15 -1.03 -4.95 115.26 120.49 2kgl n ASN 21 Ca -0.08 0.00 0.21 0.00 -0.60 0.00 0.00 54.58 54.11 2kgl n ASN 21 Cb 0.58 0.00 1.14 0.00 -0.53 0.00 0.00 39.78 40.96 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kgl h ASP 22 N 0.00 0.00 -0.55 1.20 3.58 -0.65 -2.57 116.42 117.42 2kgl h ASP 22 Ca 0.00 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.56 2kgl h ASP 22 Cb 0.00 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 40.96 2kgl h ASP 22 CO 0.00 0.00 0.03 0.00 -2.88 0.00 0.00 179.24 176.39 2kgl h ALA 23 N 1.94 0.56 -0.42 -0.78 0.00 -1.81 -1.61 119.26 117.14 2kgl h ALA 23 Ca 0.00 0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2kgl h ALA 23 Cb 0.06 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 2kgl h ALA 23 CO -0.00 -0.37 -0.15 -0.44 0.00 0.00 0.00 179.25 178.28 2kgl h ASP 24 N 0.15 -0.54 -0.75 0.00 3.32 -1.80 -0.83 116.42 115.96 2kgl h ASP 24 Ca 0.29 0.14 0.15 0.00 0.02 0.00 0.00 57.03 57.63 2kgl h ASP 24 Cb 0.44 0.32 -0.10 0.00 0.22 0.00 0.00 39.33 40.21 2kgl h ASP 24 CO -0.45 -0.19 0.26 0.24 -1.72 0.00 0.00 179.24 177.39 2kgl h MET 25 N -0.06 0.37 -0.97 3.56 2.86 -1.47 0.23 114.93 119.44 2kgl h MET 25 Ca 0.21 -0.02 0.27 0.00 -2.06 0.00 0.00 59.70 58.10 2kgl h MET 25 Cb 0.38 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 2kgl h MET 25 CO -0.47 0.24 0.69 0.00 1.06 0.00 0.00 176.91 178.43 2kgl h ALA 26 N 1.57 2.79 -0.76 6.32 0.00 -0.88 0.26 119.26 128.57 2kgl h ALA 26 Ca 0.42 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2kgl h ALA 26 Cb 0.68 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2kgl h ALA 26 CO -0.44 -1.08 0.50 -0.09 0.00 0.00 0.00 179.25 178.13 2kgl h ARG 27 N 0.08 1.00 -0.90 0.00 9.65 -0.48 -1.87 114.38 121.85 2kgl h ARG 27 Ca 0.48 -0.06 0.21 0.00 -1.10 0.00 0.00 59.98 59.51 2kgl h ARG 27 Cb 1.76 -0.22 -0.06 0.00 -1.39 0.00 0.00 29.97 30.05 2kgl h ARG 27 CO -0.05 0.66 0.60 1.37 2.80 0.00 0.00 179.97 185.36 2kgl h LEU 28 N 1.03 0.36 -1.53 3.80 8.10 -0.55 0.26 115.31 126.77 2kgl h LEU 28 Ca 0.28 0.04 -0.00 0.00 0.11 0.00 0.00 57.88 58.30 2kgl h LEU 28 Cb -0.11 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.06 2kgl h LEU 28 CO -0.06 0.14 0.25 0.25 -4.11 0.00 0.00 178.44 174.91 2kgl h LEU 29 N 0.35 0.49 -1.09 0.17 5.85 -1.44 -1.25 115.31 118.40 2kgl h LEU 29 Ca 0.47 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 59.08 2kgl h LEU 29 Cb 1.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2kgl h LEU 29 CO -0.16 0.38 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.58 2kgl h GLU 30 N 0.57 0.00 -0.65 1.25 4.39 -0.60 -3.13 114.58 116.42 2kgl h GLU 30 Ca 0.15 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.97 2kgl h GLU 30 Cb -0.02 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.54 2kgl h GLU 30 CO -0.03 0.41 0.17 0.37 -1.16 0.00 0.00 179.01 178.77 2kgl h GLN 31 N 0.00 0.29 -0.65 2.33 4.15 -1.10 -0.81 115.11 119.32 2kgl h GLN 31 Ca -0.00 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.52 2kgl h GLN 31 Cb 0.82 -0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.35 2kgl h GLN 31 CO 0.05 0.19 0.18 2.35 -1.93 0.00 0.00 178.83 179.68 2kgl h TRP 32 N 0.30 0.30 0.00 3.99 2.91 -1.63 0.26 115.95 122.08 2kgl h TRP 32 Ca 0.35 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.37 2kgl h TRP 32 Cb 0.52 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.14 2kgl h TRP 32 CO -0.23 -0.00 -0.15 1.49 -1.03 0.00 0.00 178.44 178.51 2kgl h GLU 33 N 0.32 0.00 0.00 2.65 4.57 -1.32 -2.00 114.58 118.79 2kgl h GLU 33 Ca 0.35 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.44 2kgl h GLU 33 Cb 0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2kgl h GLU 33 CO -0.40 0.15 -0.40 -0.22 -1.18 0.00 0.00 179.01 176.96 2kgl h LYS 34 N 0.00 0.00 -0.60 1.92 3.64 0.14 -1.09 116.57 120.59 2kgl h LYS 34 Ca -0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2kgl h LYS 34 Cb 0.38 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 2kgl h LYS 34 CO 0.02 0.40 0.13 0.22 -2.27 0.00 0.00 179.45 177.95 2kgl h ASP 35 N 0.00 0.01 0.00 4.20 3.58 -0.89 0.40 116.42 123.72 2kgl h ASP 35 Ca -0.00 0.11 -0.25 0.00 0.42 0.00 0.00 57.03 57.30 2kgl h ASP 35 Cb 0.83 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.99 2kgl h ASP 35 CO 0.05 0.01 -1.40 -0.67 -2.88 0.00 0.00 179.24 174.35 2kgl n ASP 36 N -5.12 1.87 0.27 2.28 -0.08 -1.19 -4.58 116.55 109.99 2kgl n ASP 36 Ca 0.09 0.42 -0.11 0.00 -1.51 0.00 0.00 54.79 53.68 2kgl n ASP 36 Cb 0.32 -0.94 -0.05 0.00 2.34 0.00 0.00 41.12 42.78 2kgl n ASP 36 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2kgl h ASP 37 N -1.00 -0.65 -5.53 1.67 3.58 -1.19 -3.47 116.42 109.83 2kgl h ASP 37 Ca -0.38 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.01 2kgl h ASP 37 Cb 1.31 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.54 2kgl h ASP 37 CO -0.23 -0.43 -0.88 0.00 -2.88 0.00 0.00 179.24 174.82 2kgl n ILE 38 N -3.99 -2.05 -0.05 2.25 0.13 0.14 -4.95 119.36 110.84 2kgl n ILE 38 Ca -0.09 0.32 -0.06 0.00 -1.10 0.00 0.00 62.75 61.82 2kgl n ILE 38 Cb 0.28 -2.59 -0.02 0.00 -0.84 0.00 0.00 39.64 36.47 2kgl n ILE 38 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2kgl n GLU 39 N 0.81 0.36 -2.16 9.51 4.07 -1.26 -5.09 120.64 126.88 2kgl n GLU 39 Ca -0.02 0.14 -0.04 0.00 -0.06 0.00 0.00 57.16 57.19 2kgl n GLU 39 Cb 0.45 -1.13 -0.00 0.00 -0.06 0.00 0.00 31.44 30.70 2kgl n GLU 39 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kgl n GLU 40 N -4.08 0.25 0.00 5.31 1.02 -1.26 -5.01 120.64 116.86 2kgl n GLU 40 Ca -0.10 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.26 2kgl n GLU 40 Cb 0.36 0.81 0.00 0.00 -0.02 0.00 0.00 31.44 32.59 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kgl n GLY 41 N -0.17 1.94 3.04 0.62 0.00 -1.25 -4.45 105.19 104.92 2kgl n GLY 41 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2kgl n GLY 41 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kgl s ASP 42 N -2.00 4.85 0.26 1.61 1.47 -1.26 -4.68 116.67 116.92 2kgl s ASP 42 Ca 0.00 -2.22 0.07 0.00 1.18 0.00 0.00 52.55 51.58 2kgl s ASP 42 Cb 0.00 -1.68 -0.03 0.00 -0.34 0.00 0.00 42.92 40.87 2kgl s ASP 42 CO 0.00 -0.40 0.23 -0.76 0.68 0.00 0.00 175.17 174.92 2kgl s LEU 43 N 0.83 3.86 0.11 2.11 1.02 -1.26 -5.04 118.68 120.31 2kgl s LEU 43 Ca 0.11 -0.23 -0.14 0.00 0.02 0.00 0.00 54.13 53.89 2kgl s LEU 43 Cb -0.20 -2.40 -0.07 0.00 0.02 0.00 0.00 46.19 43.53 2kgl s LEU 43 CO -0.06 -0.08 1.44 1.55 0.02 0.00 0.00 176.35 179.21 2kgl h PRO 44 N 1.42 0.77 -5.67 1.29 0.13 -1.99 -3.48 132.00 124.46 2kgl h PRO 44 Ca -0.49 -0.40 -0.30 0.00 -0.87 0.00 0.00 66.00 63.94 2kgl h PRO 44 Cb 1.24 0.01 0.17 0.00 0.13 0.00 0.00 31.00 32.55 2kgl h PRO 44 CO 0.60 1.03 -0.88 0.39 -0.23 0.00 0.00 178.00 178.91 2kgl n GLU 45 N -4.21 -1.97 0.01 0.86 1.02 -1.26 -4.94 120.64 110.15 2kgl n GLU 45 Ca -0.03 0.75 -0.18 0.00 -0.02 0.00 0.00 57.16 57.68 2kgl n GLU 45 Cb 0.49 -5.35 -0.11 0.00 -0.02 0.00 0.00 31.44 26.45 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2kgl h HIS 46 N -1.32 0.65 0.00 -0.32 2.07 -2.01 -3.48 115.15 110.75 2kgl h HIS 46 Ca -0.63 -0.36 0.00 0.00 -2.85 0.00 0.00 60.37 56.54 2kgl h HIS 46 Cb 1.32 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.23 2kgl h HIS 46 CO 0.31 1.18 0.00 1.63 -3.07 0.00 0.00 177.93 177.98 2kgl n LYS 47 N -4.18 0.00 -3.04 5.12 5.02 -1.26 -5.10 118.16 114.73 2kgl n LYS 47 Ca -0.11 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.12 2kgl n LYS 47 Cb 0.70 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.72 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgl n ARG 48 N -1.52 -1.79 -2.19 1.97 5.12 -1.26 -4.91 116.66 112.08 2kgl n ARG 48 Ca 0.00 1.71 -0.42 0.00 -1.93 0.00 0.00 57.85 57.20 2kgl n ARG 48 Cb 0.00 -5.35 -0.03 0.00 -1.16 0.00 0.00 32.46 25.92 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kgl s PRO 49 N -2.93 4.29 0.17 5.56 0.04 -1.26 -5.03 135.00 135.85 2kgl s PRO 49 Ca 0.12 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.30 2kgl s PRO 49 Cb -0.03 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2kgl s PRO 49 CO 0.77 -0.53 -0.24 -1.54 0.04 0.00 0.00 177.00 175.50 2kgl s SER 50 N 1.63 3.45 0.22 6.66 1.04 -1.26 -5.14 113.70 120.30 2kgl s SER 50 Ca 0.65 -0.82 0.07 0.00 0.48 0.00 0.00 55.95 56.33 2kgl s SER 50 Cb -0.34 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.46 2kgl s SER 50 CO 0.28 0.14 -0.11 0.00 0.98 0.00 0.00 173.24 174.54 2kgl s ALA 51 N -1.49 2.06 -0.08 5.32 0.00 -1.26 -4.58 121.76 121.72 2kgl s ALA 51 Ca 0.19 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 2kgl s ALA 51 Cb -0.09 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2kgl s ALA 51 CO 0.09 -0.01 1.51 -1.25 0.00 0.00 0.00 175.76 176.11 2kgl s PRO 52 N -3.69 4.20 -0.01 0.00 0.04 -1.26 -4.87 135.00 129.42 2kgl s PRO 52 Ca 0.25 2.01 0.20 0.00 0.04 0.00 0.00 61.00 63.49 2kgl s PRO 52 Cb 0.01 -3.89 0.33 0.00 0.04 0.00 0.00 34.50 31.00 2kgl s PRO 52 CO 0.08 -0.78 1.13 0.44 0.04 0.00 0.00 177.00 177.91 2kgl n ILE 53 N 5.39 0.08 -1.87 0.56 -0.00 -1.26 -5.02 119.36 117.23 2kgl n ILE 53 Ca 0.16 -0.84 -0.30 0.00 -0.00 0.00 0.00 62.75 61.76 2kgl n ILE 53 Cb 0.43 0.84 0.05 0.00 -0.00 0.00 0.00 39.64 40.97 2kgl n ILE 53 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2kgl s ASP 54 N -1.81 5.30 -0.19 7.28 -1.08 -1.26 -5.03 116.67 119.88 2kgl s ASP 54 Ca 0.26 1.10 -0.21 0.00 -0.52 0.00 0.00 52.55 53.19 2kgl s ASP 54 Cb 0.30 -1.87 -0.18 0.00 -1.46 0.00 0.00 42.92 39.71 2kgl s ASP 54 CO -0.13 -1.43 0.26 -0.26 0.52 0.00 0.00 175.17 174.14 2kgl h PHE 55 N -0.72 0.00 -6.09 -5.34 0.04 -1.93 -3.49 116.94 99.41 2kgl h PHE 55 Ca -0.45 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 59.92 2kgl h PHE 55 Cb 1.26 0.00 0.11 0.00 2.20 0.00 0.00 35.95 39.52 2kgl h PHE 55 CO 0.48 1.20 -0.93 0.43 -0.60 0.00 0.00 178.31 178.90 2kgl n SER 56 N -4.49 -5.59 -1.08 2.17 7.64 -1.25 -4.92 113.62 106.10 2kgl n SER 56 Ca -0.25 -0.96 0.05 0.00 1.01 0.00 0.00 58.87 58.72 2kgl n SER 56 Cb 0.58 -3.70 0.11 0.00 -1.01 0.00 0.00 64.21 60.19 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kgl n LYS 57 N -4.02 0.79 0.00 1.43 4.81 -1.26 -4.90 118.16 115.01 2kgl n LYS 57 Ca -0.09 -2.65 0.00 0.00 -0.87 0.00 0.00 58.31 54.71 2kgl n LYS 57 Cb 0.59 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.85 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kgl n LEU 58 N -0.29 1.01 -4.69 3.14 7.99 -1.26 -4.99 117.00 117.91 2kgl n LEU 58 Ca 0.12 0.20 -0.25 0.00 -0.01 0.00 0.00 56.01 56.08 2kgl n LEU 58 Cb 0.93 -0.27 -0.07 0.00 -0.11 0.00 0.00 43.42 43.89 2kgl n LEU 58 CO -0.04 -0.27 -0.30 -1.81 -1.51 0.00 0.00 177.39 173.46 2kgl s ASP 59 N -2.23 4.90 0.39 -1.43 1.11 -1.26 -5.01 116.67 113.14 2kgl s ASP 59 Ca 0.00 -0.39 0.28 0.00 0.18 0.00 0.00 52.55 52.62 2kgl s ASP 59 Cb 0.00 -1.08 1.18 0.00 1.07 0.00 0.00 42.92 44.09 2kgl s ASP 59 CO 0.00 0.06 1.84 1.55 1.18 0.00 0.00 175.17 179.79 2kgl h PRO 60 N 2.37 0.00 0.00 8.23 0.13 -1.97 -3.47 132.00 137.29 2kgl h PRO 60 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kgl h PRO 60 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kgl h PRO 60 CO 0.59 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 2kgl n GLY 61 N -0.02 4.36 0.00 1.56 0.00 -1.26 -5.12 105.19 104.71 2kgl n GLY 61 Ca 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2kgl n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kgl n LYS 62 N -1.73 0.00 -1.92 1.61 5.02 -1.26 -5.05 118.16 114.83 2kgl n LYS 62 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 2kgl n LYS 62 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2kgl n LYS 62 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kgl n PRO 63 N 0.00 1.58 0.19 1.97 -0.04 -1.26 -4.66 135.00 132.78 2kgl n PRO 63 Ca 0.00 -2.37 0.08 0.00 -0.04 0.00 0.00 63.50 61.17 2kgl n PRO 63 Cb 0.00 -3.60 0.11 0.00 -0.04 0.00 0.00 33.50 29.97 2kgl n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kgl h GLU 64 N 9.41 0.00 -0.21 0.54 5.08 -1.97 -3.23 114.58 124.20 2kgl h GLU 64 Ca 0.25 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 2kgl h GLU 64 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2kgl h GLU 64 CO 1.34 0.21 0.24 1.03 -1.00 0.00 0.00 179.01 180.83 2kgl h SER 65 N 0.00 0.00 -0.79 1.42 0.87 -1.83 -0.87 113.55 112.35 2kgl h SER 65 Ca -0.00 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.71 2kgl h SER 65 Cb 1.16 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.07 2kgl h SER 65 CO 0.03 0.00 0.53 0.40 -0.53 0.00 0.00 176.83 177.25 2kgl h ILE 66 N 0.00 0.79 -0.03 2.23 2.04 -1.94 0.24 117.51 120.84 2kgl h ILE 66 Ca 0.10 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2kgl h ILE 66 Cb 0.59 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2kgl h ILE 66 CO -0.00 0.08 0.06 -0.07 0.00 0.00 0.00 178.15 178.23 2kgl h LEU 67 N 0.47 0.00 -2.39 1.44 3.38 -1.42 -1.00 115.31 115.79 2kgl h LEU 67 Ca 0.39 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.39 2kgl h LEU 67 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2kgl h LEU 67 CO -0.14 0.00 0.15 0.50 0.09 0.00 0.00 178.44 179.04 2kgl h LYS 68 N 0.00 0.00 -0.91 1.13 3.11 -0.70 -1.53 116.57 117.67 2kgl h LYS 68 Ca 0.01 0.00 0.22 0.00 -2.81 0.00 0.00 60.65 58.08 2kgl h LYS 68 Cb 0.14 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.31 2kgl h LYS 68 CO -0.00 0.00 0.61 0.00 -2.81 0.00 0.00 179.45 177.25 2kgl h MET 69 N 0.00 0.29 -6.33 1.90 -0.00 -1.35 -3.46 114.93 105.99 2kgl h MET 69 Ca 0.04 -0.02 -0.47 0.00 -0.00 0.00 0.00 59.70 59.25 2kgl h MET 69 Cb 0.35 -0.07 -0.03 0.00 -0.00 0.00 0.00 31.60 31.85 2kgl h MET 69 CO -0.00 0.20 -0.82 2.41 -0.00 0.00 0.00 176.91 178.69 2kgl n THR 70 N -4.46 -3.00 -2.41 -0.10 -1.04 -0.58 -4.07 114.28 98.62 2kgl n THR 70 Ca 0.20 -0.30 -0.04 0.00 -2.04 0.00 0.00 64.05 61.87 2kgl n THR 70 Cb 0.78 -2.98 -0.03 0.00 -1.82 0.00 0.00 70.33 66.28 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kgl n LYS 71 N -4.44 -4.41 0.00 -2.82 4.81 -1.26 -4.80 118.16 105.24 2kgl n LYS 71 Ca -0.16 3.32 0.00 0.00 -0.87 0.00 0.00 58.31 60.60 2kgl n LYS 71 Cb 0.61 -4.61 0.00 0.00 0.02 0.00 0.00 35.03 31.06 2kgl n LYS 71 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2kgl n LYS 72 N 1.60 0.00 0.00 1.64 3.00 -1.26 -5.05 118.16 118.09 2kgl n LYS 72 Ca -0.26 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2kgl n LYS 72 Cb 0.41 -0.73 0.00 0.00 0.00 0.00 0.00 35.03 34.70 2kgl n LYS 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kgl n GLY 73 N 2.22 -1.94 3.19 3.14 0.00 -1.26 -5.01 105.19 105.52 2kgl n GLY 73 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 2kgl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kgl s LYS 74 N 0.00 0.51 0.94 1.61 -2.85 -1.26 -0.10 119.74 118.59 2kgl s LYS 74 Ca 0.00 -0.02 -0.15 0.00 -1.00 0.00 0.00 55.97 54.79 2kgl s LYS 74 Cb 0.00 0.23 -0.08 0.00 -2.06 0.00 0.00 37.83 35.92 2kgl s LYS 74 CO 0.00 -0.12 -0.25 -2.37 0.10 0.00 0.00 175.35 172.71 2kgl n THR 75 N 1.89 0.12 -4.54 3.79 5.66 -1.26 -4.79 114.28 115.15 2kgl n THR 75 Ca -0.19 -0.38 -0.30 0.00 -3.05 0.00 0.00 64.05 60.13 2kgl n THR 75 Cb 0.57 -0.27 -0.13 0.00 -1.55 0.00 0.00 70.33 68.95 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2kgl s LEU 76 N 4.06 2.41 -0.20 1.09 0.05 -1.26 -4.79 118.68 120.04 2kgl s LEU 76 Ca 0.49 -0.62 -0.07 0.00 0.05 0.00 0.00 54.13 53.98 2kgl s LEU 76 Cb -0.22 -1.35 0.09 0.00 -2.05 0.00 0.00 46.19 42.66 2kgl s LEU 76 CO 0.75 0.21 0.42 0.00 -0.55 0.00 0.00 176.35 177.18 2kgl s MET 77 N -1.78 0.32 -0.02 1.48 0.23 -1.20 -3.16 119.30 115.17 2kgl s MET 77 Ca 0.14 1.00 0.01 0.00 -1.03 0.00 0.00 55.69 55.82 2kgl s MET 77 Cb -0.10 0.28 0.01 0.00 -1.53 0.00 0.00 34.83 33.49 2kgl s MET 77 CO 0.06 -0.28 -0.05 -1.64 -2.03 0.00 0.00 175.02 171.08 2kgl s MET 78 N 2.61 0.62 -0.09 3.16 -1.94 -0.51 -2.27 119.30 120.89 2kgl s MET 78 Ca -0.01 -0.14 -0.03 0.00 -1.71 0.00 0.00 55.69 53.80 2kgl s MET 78 Cb -0.12 -0.64 0.05 0.00 2.01 0.00 0.00 34.83 36.13 2kgl s MET 78 CO -0.13 0.02 0.13 -0.06 -0.01 0.00 0.00 175.02 174.97 2kgl s PHE 79 N 0.42 -0.10 -0.16 -0.03 0.08 -0.52 -2.36 117.98 115.31 2kgl s PHE 79 Ca -0.05 0.44 -0.09 0.00 0.12 0.00 0.00 56.93 57.34 2kgl s PHE 79 Cb -0.09 -0.35 0.06 0.00 -0.57 0.00 0.00 43.02 42.07 2kgl s PHE 79 CO -0.00 -0.29 0.40 0.54 -0.10 0.00 0.00 175.22 175.77 2kgl s VAL 80 N 2.25 -0.02 -0.63 -0.44 0.11 -1.19 0.00 120.40 120.49 2kgl s VAL 80 Ca 0.04 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.23 2kgl s VAL 80 Cb -0.12 -0.59 0.20 0.00 -1.53 0.00 0.00 36.38 34.34 2kgl s VAL 80 CO -0.06 0.04 0.55 1.07 -3.33 0.00 0.00 175.10 173.37 2kgl n THR 81 N 4.17 1.31 -3.61 5.04 5.66 0.87 -2.07 114.28 125.65 2kgl n THR 81 Ca -0.23 -4.72 -0.05 0.00 -3.05 0.00 0.00 64.05 56.00 2kgl n THR 81 Cb 0.55 -2.08 -0.03 0.00 -1.55 0.00 0.00 70.33 67.22 2kgl n THR 81 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kgl s VAL 82 N -1.54 0.00 0.15 1.08 0.11 0.89 -1.26 120.40 119.82 2kgl s VAL 82 Ca 0.31 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.05 2kgl s VAL 82 Cb 0.04 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.79 2kgl s VAL 82 CO -0.12 0.00 1.59 -0.55 -3.33 0.00 0.00 175.10 172.68 2kgl s SER 83 N -1.67 6.59 0.41 3.54 0.15 -1.26 -3.18 113.70 118.28 2kgl s SER 83 Ca 0.08 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.32 2kgl s SER 83 Cb -0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2kgl s SER 83 CO -0.05 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.17 2kgl n GLY 84 N 3.80 -3.80 0.00 9.45 0.00 -1.26 -4.82 105.19 108.56 2kgl n GLY 84 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2kgl n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kgl n ASN 85 N -1.98 0.00 -4.56 1.61 2.85 -1.24 -4.80 115.26 107.13 2kgl n ASN 85 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 2kgl n ASN 85 Cb 0.26 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.25 2kgl n ASN 85 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2kgl s PRO 86 N -1.58 2.86 0.00 1.20 0.04 -1.26 -4.14 135.00 132.12 2kgl s PRO 86 Ca 0.00 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2kgl s PRO 86 Cb 0.00 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2kgl s PRO 86 CO 0.00 -2.45 0.66 2.41 0.04 0.00 0.00 177.00 177.66 2kgl n THR 87 N 7.25 0.00 0.00 1.26 -1.04 -1.26 -4.96 114.28 115.53 2kgl n THR 87 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 2kgl n THR 87 Cb 0.51 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 2kgl n THR 87 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2kgl n GLU 88 N 0.00 0.00 -0.15 -2.82 0.00 -1.26 -0.94 120.64 115.47 2kgl n GLU 88 Ca -0.14 0.49 0.09 0.00 0.00 0.00 0.00 57.16 57.59 2kgl n GLU 88 Cb 0.54 -1.31 0.41 0.00 0.00 0.00 0.00 31.44 31.08 2kgl n GLU 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2kgl h LYS 89 N 0.00 0.59 -0.53 5.31 1.57 -2.00 -1.58 116.57 119.93 2kgl h LYS 89 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2kgl h LYS 89 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2kgl h LYS 89 CO 0.00 0.39 0.10 0.93 -0.57 0.00 0.00 179.45 180.30 2kgl h GLU 90 N 0.61 0.86 -0.27 3.15 3.07 -1.94 -3.12 114.58 116.95 2kgl h GLU 90 Ca 0.31 -0.23 0.06 0.00 -0.50 0.00 0.00 59.36 59.00 2kgl h GLU 90 Cb 0.40 -0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 28.13 2kgl h GLU 90 CO -0.10 0.84 -0.32 1.15 -1.40 0.00 0.00 179.01 179.18 2kgl h THR 91 N 0.75 0.26 -0.48 1.13 2.02 0.01 0.26 112.91 116.86 2kgl h THR 91 Ca 0.16 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.48 2kgl h THR 91 Cb 0.39 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2kgl h THR 91 CO 0.01 0.00 0.37 -0.33 0.37 0.00 0.00 175.52 175.94 2kgl h GLU 92 N -0.32 0.00 0.00 6.66 5.08 -1.50 0.26 114.58 124.76 2kgl h GLU 92 Ca 0.13 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2kgl h GLU 92 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2kgl h GLU 92 CO -0.44 0.00 -0.66 0.93 -1.00 0.00 0.00 179.01 177.84 2kgl h GLU 93 N 0.00 0.00 -0.95 2.33 4.39 -0.56 -3.29 114.58 116.50 2kgl h GLU 93 Ca 0.23 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.14 2kgl h GLU 93 Cb 0.97 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.54 2kgl h GLU 93 CO -0.00 0.57 0.62 0.82 -1.16 0.00 0.00 179.01 179.86 2kgl h ILE 94 N 0.00 0.66 -0.24 3.13 1.08 0.18 0.26 117.51 122.58 2kgl h ILE 94 Ca -0.02 -0.16 -0.09 0.00 -0.39 0.00 0.00 64.86 64.20 2kgl h ILE 94 Cb 1.47 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2kgl h ILE 94 CO 0.08 0.09 -0.24 0.00 -0.69 0.00 0.00 178.15 177.38 2kgl h THR 95 N 0.47 1.26 -0.02 -0.27 1.03 -1.63 0.28 112.91 114.04 2kgl h THR 95 Ca 0.51 -1.23 -0.01 0.00 -0.01 0.00 0.00 66.41 65.67 2kgl h THR 95 Cb 1.19 1.35 -0.00 0.00 -1.07 0.00 0.00 68.15 69.61 2kgl h THR 95 CO -0.23 0.39 -0.02 0.28 -0.01 0.00 0.00 175.52 175.93 2kgl h SER 96 N 0.40 0.05 0.18 0.00 0.02 -0.70 -3.18 113.55 110.32 2kgl h SER 96 Ca 0.06 -0.48 -0.15 0.00 -0.84 0.00 0.00 61.79 60.38 2kgl h SER 96 Cb 0.64 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2kgl h SER 96 CO 0.05 0.52 -0.57 -0.07 -1.14 0.00 0.00 176.83 175.62 2kgl h LEU 97 N -0.41 0.46 -1.59 5.07 3.38 -1.32 -3.05 115.31 117.83 2kgl h LEU 97 Ca 0.00 -0.25 0.21 0.00 0.09 0.00 0.00 57.88 57.94 2kgl h LEU 97 Cb 0.51 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 2kgl h LEU 97 CO 0.00 0.92 0.60 -0.25 0.09 0.00 0.00 178.44 179.81 2kgl h TRP 98 N 0.31 0.44 -0.97 1.13 7.01 -0.45 0.17 115.95 123.59 2kgl h TRP 98 Ca 0.00 0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.20 2kgl h TRP 98 Cb 1.08 -0.14 -0.11 0.00 -2.10 0.00 0.00 29.16 27.90 2kgl h TRP 98 CO 0.03 0.11 0.57 1.96 -2.79 0.00 0.00 178.44 178.33 2kgl h GLN 99 N 0.33 0.70 0.05 2.65 4.20 -1.51 0.27 115.11 121.80 2kgl h GLN 99 Ca 0.46 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.13 2kgl h GLN 99 Cb 1.26 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2kgl h GLN 99 CO -0.15 0.46 -0.03 0.78 -0.67 0.00 0.00 178.83 179.23 2kgl h GLY 100 N 0.72 -0.08 1.46 3.46 0.00 -1.15 -3.12 103.07 104.36 2kgl h GLY 100 Ca 0.56 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.93 2kgl h GLY 100 CO -0.39 -0.03 0.36 1.48 0.00 0.00 0.00 176.54 177.96 2kgl h SER 101 N -0.60 0.61 -0.01 0.19 4.64 -1.34 -1.23 113.55 115.81 2kgl h SER 101 Ca -0.01 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2kgl h SER 101 Cb 0.52 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2kgl h SER 101 CO 0.01 0.44 -0.01 0.25 -0.87 0.00 0.00 176.83 176.65 2kgl h LEU 102 N 0.72 0.06 -0.72 5.97 6.46 -0.49 -2.41 115.31 124.89 2kgl h LEU 102 Ca 0.20 -0.00 0.12 0.00 -0.12 0.00 0.00 57.88 58.08 2kgl h LEU 102 Cb -0.07 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 39.77 2kgl h LEU 102 CO -0.04 0.09 0.31 0.15 -0.62 0.00 0.00 178.44 178.32 2kgl h PHE 103 N 0.07 0.54 -0.12 1.25 3.57 -1.15 0.25 116.94 121.34 2kgl h PHE 103 Ca 0.02 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2kgl h PHE 103 Cb 0.07 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2kgl h PHE 103 CO 0.00 0.12 0.17 -0.91 -2.23 0.00 0.00 178.31 175.47 2kgl h ASN 104 N 0.49 0.00 -1.08 0.41 4.21 -1.55 -3.45 115.58 114.61 2kgl h ASN 104 Ca 0.38 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.55 2kgl h ASN 104 Cb 0.51 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 37.59 2kgl h ASN 104 CO -0.35 0.00 -0.33 0.00 -1.29 0.00 0.00 177.43 175.46 2kgl n ALA 105 N -2.25 -0.30 -2.18 -0.83 0.00 0.87 -3.82 120.51 112.02 2kgl n ALA 105 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 2kgl n ALA 105 Cb 0.28 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 2kgl n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kgl n ASN 106 N -0.80 0.00 -3.10 0.00 5.15 -1.26 -4.77 115.26 110.48 2kgl n ASN 106 Ca -0.17 -1.85 -0.13 0.00 -0.60 0.00 0.00 54.58 51.83 2kgl n ASN 106 Cb 0.57 -0.03 0.12 0.00 -0.53 0.00 0.00 39.78 39.91 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kgl n TYR 107 N 0.18 -2.71 -3.68 1.20 0.18 -1.26 -2.80 117.16 108.27 2kgl n TYR 107 Ca -0.08 -0.33 -0.11 0.00 1.88 0.00 0.00 57.90 59.26 2kgl n TYR 107 Cb 0.83 -0.55 -0.11 0.00 -0.38 0.00 0.00 39.34 39.13 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2kgl s ASP 108 N -2.43 -0.17 -0.19 9.48 -1.08 0.43 -4.38 116.67 118.33 2kgl s ASP 108 Ca 0.28 0.82 -0.10 0.00 -0.52 0.00 0.00 52.55 53.03 2kgl s ASP 108 Cb -0.05 0.94 0.07 0.00 -1.46 0.00 0.00 42.92 42.41 2kgl s ASP 108 CO 0.24 -0.22 0.46 0.68 0.52 0.00 0.00 175.17 176.85 2kgl s VAL 109 N 2.11 -0.10 0.01 1.11 -7.23 -1.26 -1.36 120.40 113.67 2kgl s VAL 109 Ca -0.04 0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.23 2kgl s VAL 109 Cb -0.11 -0.68 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 2kgl s VAL 109 CO -0.11 0.04 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.56 2kgl s GLN 110 N 1.59 0.38 -0.11 4.82 -0.21 0.23 -4.68 119.66 121.68 2kgl s GLN 110 Ca -0.09 -0.27 0.02 0.00 0.02 0.00 0.00 55.36 55.03 2kgl s GLN 110 Cb -0.08 -0.32 0.01 0.00 1.00 0.00 0.00 33.01 33.62 2kgl s GLN 110 CO -0.14 0.08 -0.15 -0.98 -2.12 0.00 0.00 175.29 171.98 2kgl s ARG 111 N -0.40 2.20 -0.03 2.91 1.70 0.19 -2.13 118.95 123.39 2kgl s ARG 111 Ca -0.01 -0.56 0.03 0.00 -0.47 0.00 0.00 55.73 54.73 2kgl s ARG 111 Cb -0.03 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.48 2kgl s ARG 111 CO -0.00 -0.06 -0.12 0.12 -1.08 0.00 0.00 175.30 174.16 2kgl s PHE 112 N 0.98 1.21 -0.06 5.89 5.36 -1.04 -4.13 117.98 126.18 2kgl s PHE 112 Ca -0.07 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 55.59 2kgl s PHE 112 Cb -0.15 -0.84 0.02 0.00 -0.34 0.00 0.00 43.02 41.71 2kgl s PHE 112 CO -0.01 -0.13 -0.07 0.96 -1.46 0.00 0.00 175.22 174.50 2kgl s ILE 113 N 0.18 0.80 -0.04 3.12 -5.25 -1.26 -3.10 121.20 115.65 2kgl s ILE 113 Ca -0.04 -0.26 -0.07 0.00 -0.99 0.00 0.00 60.65 59.29 2kgl s ILE 113 Cb -0.10 -0.79 0.01 0.00 2.95 0.00 0.00 42.46 44.53 2kgl s ILE 113 CO 0.01 0.29 0.17 -0.69 -1.79 0.00 0.00 174.94 172.93 2kgl s VAL 114 N 0.98 0.04 0.62 8.37 1.01 -0.80 -5.02 120.40 125.59 2kgl s VAL 114 Ca -0.10 -0.32 0.31 0.00 0.00 0.00 0.00 61.98 61.88 2kgl s VAL 114 Cb -0.15 -0.35 0.36 0.00 0.00 0.00 0.00 36.38 36.25 2kgl s VAL 114 CO 0.00 -0.18 2.08 1.23 0.00 0.00 0.00 175.10 178.24 2kgl h GLY 115 N 5.09 0.00 0.82 4.51 0.00 -2.05 -1.38 103.07 110.07 2kgl h GLY 115 Ca -0.28 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 2kgl h GLY 115 CO 0.40 0.00 -0.72 1.76 0.00 0.00 0.00 176.54 177.98 2kgl h SER 116 N 0.00 0.57 -2.12 0.19 0.02 -2.04 -3.49 113.55 106.67 2kgl h SER 116 Ca 0.07 -0.80 0.13 0.00 -0.84 0.00 0.00 61.79 60.35 2kgl h SER 116 Cb 0.53 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2kgl h SER 116 CO -0.00 1.31 0.48 -0.90 -1.14 0.00 0.00 176.83 176.58 2kgl n ASP 117 N -4.15 -1.36 -3.97 3.07 5.75 -0.52 -4.70 116.55 110.67 2kgl n ASP 117 Ca -0.11 -1.70 -0.24 0.00 -0.01 0.00 0.00 54.79 52.72 2kgl n ASP 117 Cb 0.74 2.21 -0.17 0.00 -1.03 0.00 0.00 41.12 42.88 2kgl n ASP 117 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2kgl s ARG 118 N -2.04 1.50 -0.10 0.11 3.00 -1.19 -1.91 118.95 118.33 2kgl s ARG 118 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 55.73 55.60 2kgl s ARG 118 Cb -0.02 -1.34 0.02 0.00 0.00 0.00 0.00 34.95 33.61 2kgl s ARG 118 CO 0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 175.30 175.20 2kgl s ALA 119 N 0.95 1.26 0.02 2.13 0.00 -1.18 -0.08 121.76 124.85 2kgl s ALA 119 Ca -0.10 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.43 2kgl s ALA 119 Cb -0.15 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 2kgl s ALA 119 CO 0.00 -0.29 -0.14 -1.50 0.00 0.00 0.00 175.76 173.83 2kgl s ILE 120 N 1.47 1.09 -0.07 0.00 2.07 -0.88 -2.50 121.20 122.38 2kgl s ILE 120 Ca 0.00 -0.80 -0.00 0.00 -1.41 0.00 0.00 60.65 58.44 2kgl s ILE 120 Cb -0.13 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.53 2kgl s ILE 120 CO -0.05 0.14 -0.04 0.12 -1.91 0.00 0.00 174.94 173.20 2kgl s PHE 121 N -0.60 0.93 -0.05 3.50 2.19 -0.91 -3.14 117.98 119.90 2kgl s PHE 121 Ca 0.03 -0.34 -0.02 0.00 0.33 0.00 0.00 56.93 56.93 2kgl s PHE 121 Cb -0.07 -0.88 0.04 0.00 -1.31 0.00 0.00 43.02 40.80 2kgl s PHE 121 CO 0.00 -0.33 0.10 0.00 1.83 0.00 0.00 175.22 176.83 2kgl s MET 122 N 1.54 0.00 -0.01 10.12 0.23 -0.99 -0.60 119.30 129.58 2kgl s MET 122 Ca -0.01 0.39 -0.16 0.00 -1.03 0.00 0.00 55.69 54.89 2kgl s MET 122 Cb -0.13 -0.31 0.03 0.00 -1.53 0.00 0.00 34.83 32.88 2kgl s MET 122 CO -0.04 -0.25 0.33 -1.17 -2.03 0.00 0.00 175.02 171.86 2kgl s LEU 123 N 1.75 0.77 0.42 0.18 0.20 -0.47 -1.43 118.68 120.11 2kgl s LEU 123 Ca -0.02 0.10 0.09 0.00 0.69 0.00 0.00 54.13 55.00 2kgl s LEU 123 Cb -0.12 1.34 0.89 0.00 -0.43 0.00 0.00 46.19 47.87 2kgl s LEU 123 CO -0.04 -0.47 2.02 -0.09 -0.29 0.00 0.00 176.35 177.48 2kgl h ARG 124 N 3.78 0.35 0.00 1.98 1.12 -1.82 -2.69 114.38 117.11 2kgl h ARG 124 Ca -0.30 -0.04 -0.26 0.00 -1.11 0.00 0.00 59.98 58.27 2kgl h ARG 124 Cb 1.18 -0.07 0.13 0.00 -0.01 0.00 0.00 29.97 31.20 2kgl h ARG 124 CO 0.40 0.31 0.05 -0.25 -3.11 0.00 0.00 179.97 177.37 2kgl n ASP 125 N -4.42 -2.00 0.00 -3.80 8.00 -1.26 -4.08 116.55 109.00 2kgl n ASP 125 Ca 0.01 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2kgl n ASP 125 Cb 0.14 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kgl n GLY 126 N -2.59 0.20 0.22 0.44 0.00 -1.12 -0.43 105.19 101.90 2kgl n GLY 126 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 2kgl n GLY 126 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kgl h SER 127 N 0.00 0.57 -0.56 1.61 0.87 -1.88 -2.74 113.55 111.41 2kgl h SER 127 Ca 0.00 -0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.37 2kgl h SER 127 Cb 0.00 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.74 2kgl h SER 127 CO 0.00 0.94 0.22 0.22 -0.53 0.00 0.00 176.83 177.68 2kgl h TYR 128 N 0.43 0.39 -0.25 2.24 3.20 -1.97 -1.69 116.97 119.32 2kgl h TYR 128 Ca 0.03 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 2kgl h TYR 128 Cb 0.96 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2kgl h TYR 128 CO 0.04 0.12 -0.45 0.00 -1.64 0.00 0.00 178.16 176.22 2kgl h ALA 129 N 1.37 0.74 -0.29 1.82 0.00 -1.84 -3.11 119.26 117.95 2kgl h ALA 129 Ca 0.28 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2kgl h ALA 129 Cb 0.30 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2kgl h ALA 129 CO -0.27 0.67 -0.17 2.35 0.00 0.00 0.00 179.25 181.83 2kgl h TRP 130 N 0.51 -0.43 0.78 0.00 -0.00 -1.01 0.25 115.95 116.05 2kgl h TRP 130 Ca 0.03 0.04 -0.04 0.00 -0.00 0.00 0.00 58.89 58.92 2kgl h TRP 130 Cb 0.99 0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 30.38 2kgl h TRP 130 CO 0.04 -0.25 -0.45 0.93 -0.00 0.00 0.00 178.44 178.71 2kgl h GLU 131 N -0.14 -1.11 -0.80 2.65 5.08 -1.45 -2.34 114.58 116.47 2kgl h GLU 131 Ca 0.16 0.08 0.23 0.00 -1.00 0.00 0.00 59.36 58.82 2kgl h GLU 131 Cb 0.38 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2kgl h GLU 131 CO -0.38 -0.74 0.58 0.82 -1.00 0.00 0.00 179.01 178.29 2kgl h ILE 132 N -1.15 0.59 -0.64 3.13 1.08 -1.44 -0.15 117.51 118.93 2kgl h ILE 132 Ca -0.11 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.44 2kgl h ILE 132 Cb 0.91 0.60 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 2kgl h ILE 132 CO 0.13 0.00 0.32 0.50 -0.69 0.00 0.00 178.15 178.40 2kgl h LYS 133 N 0.00 0.55 -0.66 2.37 3.11 0.06 0.27 116.57 122.27 2kgl h LYS 133 Ca 0.38 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 58.13 2kgl h LYS 133 Cb 1.53 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.61 2kgl h LYS 133 CO -0.00 0.37 0.19 0.22 -2.81 0.00 0.00 179.45 177.41 2kgl h ASP 134 N 0.57 0.98 0.50 4.20 1.82 -0.96 -2.59 116.42 120.94 2kgl h ASP 134 Ca 0.30 -0.22 -0.10 0.00 -0.39 0.00 0.00 57.03 56.62 2kgl h ASP 134 Cb 0.28 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 2kgl h ASP 134 CO -0.23 0.94 -0.50 0.15 -1.61 0.00 0.00 179.24 177.99 2kgl h PHE 135 N 0.97 0.00 0.81 0.28 3.57 -1.28 -3.13 116.94 118.17 2kgl h PHE 135 Ca 0.21 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 2kgl h PHE 135 Cb 0.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2kgl h PHE 135 CO 0.02 0.50 -0.44 1.25 -2.23 0.00 0.00 178.31 177.42 2kgl h LEU 136 N 0.00 -1.06 -2.00 0.59 5.85 -0.10 -2.46 115.31 116.12 2kgl h LEU 136 Ca -0.00 0.05 0.21 0.00 0.84 0.00 0.00 57.88 58.97 2kgl h LEU 136 Cb 0.88 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2kgl h LEU 136 CO 0.06 -0.70 0.52 1.62 -0.34 0.00 0.00 178.44 179.60 2kgl h VAL 137 N -1.15 0.64 0.00 1.05 3.04 -1.57 0.24 116.25 118.49 2kgl h VAL 137 Ca -0.11 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 2kgl h VAL 137 Cb 0.90 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2kgl h VAL 137 CO 0.15 0.00 -0.04 0.77 -1.01 0.00 0.00 177.57 177.44 2kgl h SER 138 N 0.00 0.00 0.38 3.17 4.64 -1.38 -2.90 113.55 117.46 2kgl h SER 138 Ca 0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 2kgl h SER 138 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2kgl h SER 138 CO -0.00 0.04 -0.18 1.56 -0.87 0.00 0.00 176.83 177.37 2kgl h GLN 139 N 0.00 -0.49 -1.44 4.77 1.08 -0.41 -3.37 115.11 115.25 2kgl h GLN 139 Ca -0.00 0.03 -0.35 0.00 -1.45 0.00 0.00 58.65 56.88 2kgl h GLN 139 Cb 0.07 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.51 2kgl h GLN 139 CO 0.00 -0.17 -0.37 -3.47 -0.95 0.00 0.00 178.83 173.88 2kgl n ASP 140 N -5.16 -5.08 -2.67 1.46 2.03 -1.10 -4.81 116.55 101.23 2kgl n ASP 140 Ca -0.09 0.26 -0.04 0.00 0.52 0.00 0.00 54.79 55.44 2kgl n ASP 140 Cb 0.28 -4.12 0.11 0.00 -0.72 0.00 0.00 41.12 36.67 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kgl n ARG 141 N -2.56 0.19 -3.81 -0.67 0.63 -0.39 -4.79 116.66 105.26 2kgl n ARG 141 Ca -0.18 -0.77 -0.12 0.00 -0.92 0.00 0.00 57.85 55.86 2kgl n ARG 141 Cb 0.60 -0.21 -0.10 0.00 0.45 0.00 0.00 32.46 33.20 2kgl n ARG 141 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kgl s ALA 143 N -0.68 0.10 -0.14 0.00 0.00 -1.26 -0.09 121.76 119.68 2kgl s ALA 143 Ca -0.08 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 2kgl s ALA 143 Cb -0.04 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.59 2kgl s ALA 143 CO 0.02 -0.37 0.37 -1.21 0.00 0.00 0.00 175.76 174.57 2kgl s GLU 144 N 1.80 0.42 -0.14 0.00 2.02 0.10 -3.82 118.70 119.08 2kgl s GLU 144 Ca -0.00 0.54 -0.12 0.00 0.02 0.00 0.00 54.97 55.41 2kgl s GLU 144 Cb -0.12 0.18 0.04 0.00 0.10 0.00 0.00 34.13 34.33 2kgl s GLU 144 CO -0.04 -0.06 0.37 0.54 0.02 0.00 0.00 175.26 176.09 2kgl s VAL 145 N 0.34 -0.00 -0.13 2.63 0.11 -1.26 -1.44 120.40 120.64 2kgl s VAL 145 Ca -0.01 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.02 2kgl s VAL 145 Cb -0.03 -0.53 0.06 0.00 -1.53 0.00 0.00 36.38 34.36 2kgl s VAL 145 CO -0.01 0.01 0.21 -0.89 -3.33 0.00 0.00 175.10 171.09 2kgl s THR 146 N 0.38 -0.33 -0.20 5.04 2.01 -0.96 -4.74 115.64 116.84 2kgl s THR 146 Ca -0.01 0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 2kgl s THR 146 Cb -0.04 -0.44 0.08 0.00 0.01 0.00 0.00 72.50 72.11 2kgl s THR 146 CO -0.01 0.05 0.43 -0.22 -0.69 0.00 0.00 174.62 174.18 2kgl s LEU 147 N 2.35 -0.51 0.00 4.42 0.20 -1.26 -3.22 118.68 120.65 2kgl s LEU 147 Ca 0.03 1.00 -0.07 0.00 0.69 0.00 0.00 54.13 55.79 2kgl s LEU 147 Cb -0.13 1.42 0.03 0.00 -0.43 0.00 0.00 46.19 47.07 2kgl s LEU 147 CO -0.08 -0.22 0.53 -0.62 -0.29 0.00 0.00 176.35 175.67 2kgl n GLU 148 N 5.02 0.77 -1.43 1.98 -0.58 -1.26 -5.08 120.64 120.06 2kgl n GLU 148 Ca -0.13 -2.17 0.03 0.00 -0.42 0.00 0.00 57.16 54.47 2kgl n GLU 148 Cb 0.51 2.33 0.01 0.00 -0.57 0.00 0.00 31.44 33.73 2kgl n GLU 148 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kgl n GLY 149 N -0.48 0.94 2.80 0.62 0.00 -1.26 -4.02 105.19 103.79 2kgl n GLY 149 Ca -0.03 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2kgl n GLY 149 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kgl n GLN 150 N 0.44 4.26 -3.02 1.61 7.27 -1.26 -4.82 117.38 121.87 2kgl n GLN 150 Ca 0.03 -4.76 0.00 0.00 0.07 0.00 0.00 57.00 52.33 2kgl n GLN 150 Cb 1.10 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 31.40 2kgl n GLN 150 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 2kgl n MET 151 N -0.17 -0.72 -3.69 3.69 1.56 -1.26 -4.95 117.12 111.58 2kgl n MET 151 Ca 0.39 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.48 2kgl n MET 151 Cb 0.33 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.65 2kgl n MET 151 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2kgl s TYR 152 N -3.00 3.55 1.08 1.12 2.02 -1.17 -4.31 117.35 116.65 2kgl s TYR 152 Ca 0.00 0.62 -0.18 0.00 -0.37 0.00 0.00 57.07 57.14 2kgl s TYR 152 Cb 0.00 -2.03 0.27 0.00 -0.40 0.00 0.00 41.96 39.80 2kgl s TYR 152 CO 0.00 0.54 0.96 -0.35 -1.57 0.00 0.00 175.55 175.13 2kgl n PRO 153 N 0.76 -2.90 0.00 -1.71 -0.04 0.85 -4.16 135.00 127.80 2kgl n PRO 153 Ca -0.08 -1.54 0.12 0.00 -0.04 0.00 0.00 63.50 61.96 2kgl n PRO 153 Cb 0.52 -1.44 0.08 0.00 -0.04 0.00 0.00 33.50 32.63 2kgl n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 154 N -3.90 0.39 0.29 0.55 0.00 -1.26 -4.10 105.19 97.16 2kgl n GLY 154 Ca 0.13 -0.64 0.17 0.00 0.00 0.00 0.00 46.02 45.68 2kgl n GLY 154 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kgl h LYS 155 N 3.29 0.00 0.00 1.61 2.10 -1.94 -3.42 116.57 118.21 2kgl h LYS 155 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kgl h LYS 155 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2kgl h LYS 155 CO 0.00 0.05 0.00 0.41 -2.00 0.00 0.00 179.45 177.91 2kgl n GLY 156 N -0.69 1.56 0.00 0.07 0.00 -1.26 -4.87 105.19 100.01 2kgl n GLY 156 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2kgl n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 157 N 0.00 2.64 0.00 -0.02 0.00 -1.26 -4.78 105.19 101.77 2kgl n GLY 157 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2kgl n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 158 N 0.00 -0.15 0.00 -0.02 0.00 -1.26 -4.33 105.19 99.43 2kgl n GLY 158 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2kgl n GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 159 N 0.00 0.00 -2.64 1.61 7.64 -1.26 -4.99 113.62 113.97 2kgl n SER 159 Ca 0.00 0.82 -0.04 0.00 1.01 0.00 0.00 58.87 60.65 2kgl n SER 159 Cb 0.00 -0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 62.85 2kgl n SER 159 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kgl n LYS 160 N -1.64 -4.30 0.00 1.43 4.81 -1.26 -4.97 118.16 112.22 2kgl n LYS 160 Ca 0.00 3.28 -0.18 0.00 -0.87 0.00 0.00 58.31 60.54 2kgl n LYS 160 Cb 0.00 -5.05 -0.14 0.00 0.02 0.00 0.00 35.03 29.86 2kgl n LYS 160 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2kgl n GLU 161 N 1.51 0.73 -3.67 1.64 4.07 -1.26 -5.00 120.64 118.67 2kgl n GLU 161 Ca -0.32 0.27 -0.26 0.00 -0.06 0.00 0.00 57.16 56.79 2kgl n GLU 161 Cb 0.51 -1.74 0.03 0.00 -0.06 0.00 0.00 31.44 30.18 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2kgl n LYS 162 N -3.38 -2.76 -3.68 5.31 4.81 -1.26 -4.99 118.16 112.21 2kgl n LYS 162 Ca -0.28 0.55 -0.17 0.00 -0.87 0.00 0.00 58.31 57.55 2kgl n LYS 162 Cb 1.05 -4.71 -0.16 0.00 0.02 0.00 0.00 35.03 31.23 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2kgl s ASN 163 N -3.86 0.65 0.96 3.14 0.01 -1.26 -5.15 114.94 109.43 2kgl s ASN 163 Ca 0.26 0.31 -0.13 0.00 -0.71 0.00 0.00 52.86 52.59 2kgl s ASN 163 Cb -0.08 0.23 0.07 0.00 0.41 0.00 0.00 41.25 41.88 2kgl s ASN 163 CO 0.83 -0.23 0.54 0.29 -1.51 0.00 0.00 177.10 177.03 2kgl n LYS 164 N 5.15 -0.47 -3.40 -0.60 4.01 -1.26 -4.75 118.16 116.83 2kgl n LYS 164 Ca -0.08 -0.09 -0.22 0.00 -0.51 0.00 0.00 58.31 57.40 2kgl n LYS 164 Cb 0.50 -1.96 -0.10 0.00 -0.51 0.00 0.00 35.03 32.97 2kgl n LYS 164 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2kgl s THR 165 N -2.43 -0.12 -0.02 -0.18 -4.23 -1.26 -5.02 115.64 102.38 2kgl s THR 165 Ca 0.59 -1.34 -0.18 0.00 -1.18 0.00 0.00 61.69 59.58 2kgl s THR 165 Cb -0.21 -0.86 -0.10 0.00 1.34 0.00 0.00 72.50 72.66 2kgl s THR 165 CO 0.65 -0.77 0.79 0.11 -0.54 0.00 0.00 174.62 174.86 2kgl h LYS 166 N 6.99 -0.64 -0.07 3.99 1.57 -1.99 -0.73 116.57 125.69 2kgl h LYS 166 Ca 0.06 0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2kgl h LYS 166 Cb 1.02 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2kgl h LYS 166 CO 0.23 -0.43 -0.47 -1.00 -0.57 0.00 0.00 179.45 177.21 2kgl h PRO 167 N -1.12 0.16 0.00 3.15 0.13 -2.02 -2.94 132.00 129.35 2kgl h PRO 167 Ca -0.07 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 64.87 2kgl h PRO 167 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 2kgl h PRO 167 CO 0.11 0.60 -0.53 0.93 -0.23 0.00 0.00 178.00 178.89 2kgl h GLU 168 N 0.13 0.00 -0.42 0.86 4.39 -1.96 -3.09 114.58 114.49 2kgl h GLU 168 Ca 0.01 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.79 2kgl h GLU 168 Cb 0.88 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.46 2kgl h GLU 168 CO 0.07 0.53 -0.08 0.87 -1.16 0.00 0.00 179.01 179.23 2kgl h LYS 169 N 0.00 0.02 0.00 2.33 1.57 -0.93 -1.30 116.57 118.26 2kgl h LYS 169 Ca -0.01 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 2kgl h LYS 169 Cb 1.24 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2kgl h LYS 169 CO 0.07 0.01 -0.85 0.00 -0.57 0.00 0.00 179.45 178.11 2kgl h ALA 170 N 1.41 0.60 -0.34 3.86 0.00 -1.68 -3.12 119.26 119.98 2kgl h ALA 170 Ca 0.20 -0.76 0.06 0.00 0.00 0.00 0.00 54.91 54.41 2kgl h ALA 170 Cb 0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2kgl h ALA 170 CO -0.41 1.03 -0.01 -0.22 0.00 0.00 0.00 179.25 179.64 2kgl h LYS 171 N 0.02 0.08 -0.25 0.00 3.64 -1.18 -1.45 116.57 117.43 2kgl h LYS 171 Ca -0.01 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 2kgl h LYS 171 Cb 1.49 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 2kgl h LYS 171 CO 0.11 0.06 -0.35 -0.22 -2.27 0.00 0.00 179.45 176.77 2kgl h LYS 172 N 0.09 0.56 -0.16 1.90 3.64 -1.40 -2.80 116.57 118.39 2kgl h LYS 172 Ca 0.16 -0.26 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2kgl h LYS 172 Cb 0.23 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2kgl h LYS 172 CO -0.28 0.83 0.11 -0.22 -2.27 0.00 0.00 179.45 177.62 2kgl h LYS 173 N 0.47 0.14 0.27 1.90 3.11 -1.27 -2.92 116.57 118.28 2kgl h LYS 173 Ca 0.05 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 2kgl h LYS 173 Cb 0.84 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 2kgl h LYS 173 CO 0.07 0.09 -0.13 0.93 -2.81 0.00 0.00 179.45 177.60 2kgl h GLU 174 N 0.14 -0.35 0.00 1.90 5.08 -1.03 -3.48 114.58 116.84 2kgl h GLU 174 Ca 0.07 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2kgl h GLU 174 Cb 0.09 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2kgl h GLU 174 CO -0.01 -0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.37 2kgl n GLY 175 N 0.45 2.50 0.50 -3.84 0.00 -1.10 -4.02 105.19 99.67 2kgl n GLY 175 Ca -0.07 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2kgl n GLY 175 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kgl h ASP 176 N 0.00 -1.07 -0.11 1.61 5.19 -1.85 -3.31 116.42 116.88 2kgl h ASP 176 Ca 0.00 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 2kgl h ASP 176 Cb 0.00 0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 2kgl h ASP 176 CO 0.00 -0.75 -0.11 1.55 -3.12 0.00 0.00 179.24 176.81 2kgl h PRO 177 N -1.29 0.27 -1.25 3.56 0.13 -1.97 -3.39 132.00 128.06 2kgl h PRO 177 Ca -0.13 -0.14 0.30 0.00 -0.87 0.00 0.00 66.00 65.16 2kgl h PRO 177 Cb 0.97 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 31.91 2kgl h PRO 177 CO 0.21 0.68 0.90 0.15 -0.23 0.00 0.00 178.00 179.72 2kgl s LYS 178 N -4.28 0.16 0.15 0.86 1.02 -1.25 -5.09 119.74 111.32 2kgl s LYS 178 Ca -0.15 -0.06 -0.03 0.00 0.02 0.00 0.00 55.97 55.76 2kgl s LYS 178 Cb 0.04 0.07 0.04 0.00 -0.52 0.00 0.00 37.83 37.46 2kgl s LYS 178 CO 0.73 -0.07 0.13 -0.35 -0.92 0.00 0.00 175.35 174.88 2kgl n PRO 179 N -0.08 -1.28 -3.24 -1.68 -0.04 -1.26 -4.40 135.00 123.02 2kgl n PRO 179 Ca 0.02 -0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 2kgl n PRO 179 Cb 0.58 -0.20 0.07 0.00 -0.04 0.00 0.00 33.50 33.90 2kgl n PRO 179 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kgl n ARG 180 N -1.92 -2.22 0.00 0.54 3.00 -1.26 -4.84 116.66 109.97 2kgl n ARG 180 Ca 0.02 0.88 0.00 0.00 -0.00 0.00 0.00 57.85 58.75 2kgl n ARG 180 Cb 0.07 -5.82 0.00 0.00 0.00 0.00 0.00 32.46 26.71 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kgl n ALA 181 N -3.19 0.00 -0.36 5.13 0.00 -1.26 -4.96 120.51 115.87 2kgl n ALA 181 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.47 2kgl n ALA 181 Cb 0.62 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.35 2kgl n ALA 181 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kgl h SER 182 N 0.00 0.86 -0.74 0.00 0.02 -1.88 -0.47 113.55 111.34 2kgl h SER 182 Ca 0.00 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2kgl h SER 182 Cb 0.00 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 2kgl h SER 182 CO 0.00 0.38 0.44 0.50 -1.14 0.00 0.00 176.83 177.01 2kgl h LYS 183 N 0.88 0.79 -0.32 3.45 1.63 -1.93 0.20 116.57 121.28 2kgl h LYS 183 Ca 0.54 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.36 2kgl h LYS 183 Cb 0.70 -0.18 -0.07 0.00 -0.60 0.00 0.00 32.23 32.08 2kgl h LYS 183 CO -0.33 0.53 -0.14 0.93 -3.45 0.00 0.00 179.45 176.99 2kgl h GLU 184 N 0.82 -0.08 -0.12 1.90 5.08 -1.46 0.25 114.58 120.97 2kgl h GLU 184 Ca 0.32 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2kgl h GLU 184 Cb 0.15 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kgl h GLU 184 CO -0.16 -0.05 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.18 2kgl h ASP 185 N -0.08 0.36 -1.00 1.42 3.32 -1.38 -3.11 116.42 115.95 2kgl h ASP 185 Ca 0.16 -0.52 0.14 0.00 0.02 0.00 0.00 57.03 56.84 2kgl h ASP 185 Cb 0.33 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.69 2kgl h ASP 185 CO -0.38 0.81 0.62 -1.13 -1.72 0.00 0.00 179.24 177.43 2kgl h ASN 186 N -0.08 0.87 0.39 6.45 -0.73 -0.21 0.24 115.58 122.50 2kgl h ASN 186 Ca 0.01 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 2kgl h ASN 186 Cb 0.73 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.21 2kgl h ASN 186 CO 0.04 0.41 -0.16 0.03 -0.37 0.00 0.00 177.43 177.38 2kgl h ARG 187 N 0.91 0.00 -0.30 6.67 3.08 -0.49 -2.84 114.38 121.40 2kgl h ARG 187 Ca 0.52 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.56 2kgl h ARG 187 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2kgl h ARG 187 CO -0.31 0.16 0.14 0.00 -1.07 0.00 0.00 179.97 178.90 2kgl h ALA 188 N 1.84 0.39 -3.92 0.04 0.00 -0.45 -3.41 119.26 113.75 2kgl h ALA 188 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kgl h ALA 188 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kgl h ALA 188 CO 0.02 -0.05 -0.72 0.41 0.00 0.00 0.00 179.25 178.91 2kgl n GLY 189 N -0.84 -5.04 0.76 0.00 0.00 -1.08 -0.12 105.19 98.88 2kgl n GLY 189 Ca -0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2kgl n GLY 189 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 190 N 1.36 2.29 -2.92 1.61 2.88 -1.26 -0.11 113.62 117.46 2kgl n SER 190 Ca 0.00 -1.47 -0.10 0.00 -1.33 0.00 0.00 58.87 55.98 2kgl n SER 190 Cb 0.00 0.07 0.01 0.00 -0.75 0.00 0.00 64.21 63.55 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kgl n ARG 191 N -0.27 -2.26 -3.28 -1.46 0.00 -1.26 -3.22 116.66 104.90 2kgl n ARG 191 Ca -0.04 2.02 -0.23 0.00 -0.00 0.00 0.00 57.85 59.60 2kgl n ARG 191 Cb 0.13 -5.42 0.01 0.00 0.00 0.00 0.00 32.46 27.18 2kgl n ARG 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kgl n ARG 192 N -0.43 -3.75 0.03 -0.14 1.74 -1.26 -4.81 116.66 108.04 2kgl n ARG 192 Ca 0.09 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 2kgl n ARG 192 Cb 0.48 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.60 2kgl n ARG 192 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2kgl n GLU 193 N -3.80 0.00 -3.75 5.56 4.07 -1.20 -5.05 120.64 116.48 2kgl n GLU 193 Ca -0.04 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.83 2kgl n GLU 193 Cb 0.56 -0.24 0.02 0.00 -0.06 0.00 0.00 31.44 31.72 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2kgl n ASP 194 N -3.02 -1.33 0.00 4.31 8.00 0.84 -4.92 116.55 120.43 2kgl n ASP 194 Ca 0.00 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2kgl n ASP 194 Cb 0.00 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70